tert-butyl 4-[5-chloranyl-1-(phenylsulfonyl)indol-2-yl]sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[5-chloranyl-1-(phenylsulfonyl)indol-2-yl]sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[1-(benzenesulfonyl)-5-chloro-indol-2-yl]sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-[[1-(benzenesulfonyl)-5-chloro-2-indolyl]sulfonyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(1-besyl-5-chloro-indol-2-yl)sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C24H28ClN3O6S2 MolecularWeight: 554.07862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C24H28ClN3O6S2/c1-24(2,3)34-23(29)26-12-7-13-27(15-14-26)36(32,33)22-17-18-16-19(25)10-11-21(18)28(22)35(30,31)20-8-5-4-6-9-20/h4-6,8-11,16-17H,7,12-15H2,1-3H3